SCHEMBL4977185

SCHEMBL4977185

OCCOc1ccc(-c2nc(-c3ccc(OCCO)cc3O)nc(-c3ccc(OCCO)cc3O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
NR1I2 O75469 1/20 0.42
ALDH2 P05091 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 2/20 0.40
XDH P47989 2/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 2/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4978800 0.94 NPC1 (0.46) L3MBTL1NR1I2ALDH2MAOAMAOB
SCHEMBL14036384 0.93 S1PR1 (0.43) L3MBTL1NR1I2ALDH2MAOAMAOB
SCHEMBL29354712 0.91 KMT2A (0.51) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL580702 0.91 MEN1 (0.47) L3MBTL1ALDH2MAOAMAOBNPC1
SCHEMBL17993725 0.91 MAPT (0.47) MAOAMAOBALDH1A1RECQLGAA
SCHEMBL626750 0.91 KMT2A (0.51) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL18012057 0.91 MAPK1 (0.46) NR1I2ALDH2MAOAMAOBNPC1
SCHEMBL4977473 0.91 NPC1 (0.51) L3MBTL1NPC1ALDH1A1GAAMEN1
SCHEMBL29356875 0.91 MEN1 (0.47) L3MBTL1ALDH2MAOAMAOBNPC1
SCHEMBL5859406 0.91 MAPT (0.49) ALDH1A1RECQLGAAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451248-B1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS CIBA HOLDING INC (CH) 2008-11-26 EP disclosed
EP-1451248-B1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS CIBA HOLDING INC (CH) 2008-11-26 EP disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-20050075465-A1 2-Hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORPORATION 2005-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075465-A1 2-Hydroxyphenyl-s-triazine crosslinkers for polymer networks H1-5, SMC4, H1-4 L3MBTL1 1019/4885NR1I2 1706/4885ALDH2 3660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.